phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate

C19H16F3N3O2 — CID 123542293

IUPACphenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2N(C)C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H16F3N3O2/c1-13-7-6-8-14(11-13)25-17(12-16(23-25)19(20,21)22)24(2)18(26)27-15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyROZYXPIFXZRXGI-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.83
Rot. Bonds3

About phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate

phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate (PubChem CID 123542293) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate
PubChem CID123542293
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Namephenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2N(C)C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H16F3N3O2/c1-13-7-6-8-14(11-13)25-17(12-16(23-25)19(20,21)22)24(2)18(26)27-15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyROZYXPIFXZRXGI-UHFFFAOYSA-N
XLogP4.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate (CID 123542293) is phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate is Cc1cccc(-n2nc(C(F)(F)F)cc2N(C)C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The InChIKey is ROZYXPIFXZRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-13-7-6-8-14(11-13)25-17(12-16(23-25)19(20,21)22)24(2)18(26)27-15-9-4-3-5-10-15/h3-12H,1-2H3.
What are the key properties of phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate has a molecular weight of 375.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 123542293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).